4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate

Base Information

• Chemical Name: 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
• CAS No.: 2500-83-6
• Deprecated CAS: 38621-99-7
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• European Community (EC) Number: 219-700-4
• NSC Number: 142428,94573
• DSSTox Substance ID: DTXSID3051917
• Nikkaji Number: J191.993H
• Mol file: 2500-83-6.mol

Synonyms:2500-83-6;4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate;Tricyclo(5.2.1.02,6)dec-3-en-9-yl acetate;TRICYCLODECENYLACETATE;4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate;8-tricyclo[5.2.1.02,6]dec-4-enyl acetate;EINECS 219-700-4;tricyclo[5.2.1.0^{2,6}]dec-4-en-8-yl acetate;NSC 142428;tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate;3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl acetate;3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl acetate;4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, 5-acetate;Tricyclo(5.2.1.02,6)dec-4-en-8-yl acetate;tricyclo[5.2.1.0~2,6~]dec-4-en-8-yl acetate;NCIOpen2_001430;SCHEMBL112485;DTXSID3051917;NSC94573;MFCD00169839;NSC-94573;NSC142428;AKOS015994099;MS-0719;NSC-142428;tricyclo[5.2.1.0?,?]dec-4-en-8-yl acetate;W-109794;tricyclo(5.2.1.02,6)dec - 4 - en - 8 - yl acetate;3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol acetate;3a,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl acetate

Chemical Property of 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate

Chemical Property:

• Appearance/Colour: Clear to amber liquid
• Vapor Pressure: 0.0137mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 258.4 °C at 760 mmHg
• Flash Point: 101.8 °C
• PSA: 26.30000
• Density: 1.12 g/cm³
• LogP: 2.15020
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 295

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2CC1C3C2CC=C3

Technology Process of 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate

There total 10 articles about 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(1RS,2RS,6RS,7RS,8SR)-tricyclo[5.2.1.02,6]dec-4-en-8-ol (133-21-1,36807-74-6,42913-38-2,51175-97-4,54418-52-9) + acetic anhydride (108-24-7) → (1RS,2RS,6RS,7RS,8SR)-tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate (2500-83-6,51175-94-1,66170-50-1,66170-51-2,66170-53-4)

Guidance literature:

With sodium carbonate; In toluene; for 1h; Heating;

DOI:10.1002/hlca.200490151

Reference yield:

bi(cyclopentadiene) (77-73-6,933-60-8,1755-01-7,25038-78-2) + acetic acid (64-19-7,77671-22-8) → 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5(6)-yl acetate (5413-60-5) + tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate (2500-83-6)

Guidance literature:

With trifluorormethanesulfonic acid; at 90 - 135 ℃; for 3.31667 - 7.9h; Product distribution / selectivity;

Reference yield:

→ tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate (2500-83-6)

Guidance literature:

Dicyclopentadien u. Essigsaeure;

upstream raw materials:

bi(cyclopentadiene)

acetic acid

endo-Dicyclopentadien

exo-dicyclopentadiene

Downstream raw materials:

(1S,2S,6S,7S,8R)-tricyclo[5.2.1.0^2,6]dec-4-en-8-ol

(1R,2R,6R,7R,8S)-tricyclo[5.2.1.0^2,6]dec-4-en-8-ol

Refernces

• 1、 -. "Process for making tricyclodecenyl esters". Page/Page column 2-3. . Retrieved 2008/06/13.
• 2、 Hoelscher, Bernd,Braun, Norbert A.,Weber, Berthold,Kappey, Claus-Hermann,Meier, Manfred,Pickenhagen, Wilhelm. "Enantioselectivity in odor perception synthesis and olfactory properties of the new tricyclic sandalwood odorant Fleursandol". . p. 1666 - 1680. Retrieved 2007/10/03.